Methyl isovalerate (CAS 556-24-1) — Sweet Top Note Fragrance Ingredient
Methyl isovalerate
CAS 556-24-1
What Is Methyl isovalerate?
Methyl isovalerate is a fruity ester commonly found in perfumes and flavorings. It smells like apples and pineapples, often used to create tropical or fresh fruit accords. This ingredient matters because it adds a natural, juicy quality to fragrances without requiring actual fruit extracts, making formulations more stable and consistent.
Safety Profile
GENERALLY SAFEWhat Does Methyl isovalerate Smell Like?
Methyl isovalerate bursts with a bright, effervescent apple-peel top note that carries subtle hints of pineapple core. The heart develops a creamy, almost coconut-like undertone before drying down to a soft woody-musk base. Like biting into a just-ripe fruit, it balances sweet juiciness with a refreshing green stemminess.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the citrus-fruity opening with a juicy apple-like lift that blends seamlessly with lemon and bergamot.
Provides a crisp fruity nuance to the aromatic fougère structure, complementing lavender and artemisia.
2D Molecular Structure
SMILES: COC(=O)CC(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl isovalerate is an ester formed from isovaleric acid and methanol. Industrially produced via acid-catalyzed esterification, it occurs naturally in some fruits and essential oils. The molecule’s compact structure (C6H12O2) gives it high volatility and fruity odor characteristics typical of short-chain esters.
Physical & Chemical Properties
| Boiling Point | 116-117°C |
|---|---|
| Density | 0.881 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Adds fruity lift to top notes |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Used in apple-type air fresheners |
Classic Accords
Tip: Use with citrus oils to enhance natural fruity effects.
Alternatives & Comparisons
More intense fruity character with longer tenacity, useful when a stronger apple note is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA. General usage guidelines apply.
RIFM Assessment
RIFM assessment confirms safe use at current industry levels.
Sustainability
Synthetically produced from petrochemical precursors. More sustainable than natural extraction from fruits due to higher yield and purity. Biodegradable under normal environmental conditions.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090772
- PubChem Compound Summary for CID 7764 PubChem CID 7764
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID5060300
Physical Properties
| Molecular Weight | 116.16 g/mol🔬 EPA CompTox |
| Density | 0.868 g/cm^3🔬 EPA CTX |
| Boiling Point | 115.667 °C🔬 EPA CTX |
| Melting Point | -83.449 °C📊 OPERA |
| Flash Point | 19.475 °C🔬 EPA CTX |
| Refractive Index | 1.396 Dimensionless📊 OPERA |
| Molar Volume | 131.435 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.82 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.744 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.744 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.24 Log10 unitless📊 OPERA |
| Water Solubility | 0.063 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 13.999 mmHg🔬 EPA CTX |
| Viscosity | 0.627 cP📊 OPERA |
| Surface Tension | 24.158 dyn/cm📊 OPERA |
| Thermal Conductivity | 128.844 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 31.58 cm^3/mol📊 OPERA |
| Polarizability | 12.519 Å^3📊 OPERA |
Data Sources:
🔬 EPA Experimental data from U.S. EPA CompTox Chemicals Dashboard & CTX APIs. 📊 OPERA Predicted using EPA's OPERA QSAR models. 💻 Computed Calculated from SMILES using RDKit.
